SCHEMBL4814347

SCHEMBL4814347

Nc1ccc(I)cc1C(=O)Nc1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.64
ITGA4 P13612 20/20 0.64
ITGA2 P17301 1/20 0.63
ITGB7 P26010 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL180926 1.00 ITGB1 (0.64) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4321203 0.83 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL18047251 0.82 ITGB1 (0.65) ITGB1ITGA4ITGA2ITGB7
SCHEMBL1324062 0.82 ITGB1 (0.65) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7609992 0.80 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6642706 0.79 ITGB1 (0.80) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5926656 0.79 MME (0.50) ITGB1ITGA4ITGB7
SCHEMBL4809695 0.79 ITGB1 (0.71) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7538961 0.78 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
SCHEMBL181378 0.78 ITGB1 (0.65) ITGB1ITGA4ITGA2ITGB7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
EP-2615087-A2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-07-17 EP disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20050222141-A1 Novel phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGB1 10/4885ITGA4 2/4885ITGA2 15/4885
US-20050222141-A1 Novel phenylalanine derivatives ITGB4, ITGA4, ITGAV ITGB1 10/4885ITGA4 2/4885ITGA2 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.